N-propan-2-yl-N-pyrrolidin-3-yl-1,2,4-triazin-3-amine

C10H17N5 — CID 83833868

IUPACN-propan-2-yl-N-pyrrolidin-3-yl-1,2,4-triazin-3-amine
SMILESCC(C)N(c1nccnn1)C1CCNC1
InChIInChI=1S/C10H17N5/c1-8(2)15(9-3-4-11-7-9)10-12-5-6-13-14-10/h5-6,8-9,11H,3-4,7H2,1-2H3
InChIKeyPOKIHHFEKPOPTD-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.45
Rot. Bonds3

About N-propan-2-yl-N-pyrrolidin-3-yl-1,2,4-triazin-3-amine

N-propan-2-yl-N-pyrrolidin-3-yl-1,2,4-triazin-3-amine (PubChem CID 83833868) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is N-propan-2-yl-N-pyrrolidin-3-yl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-pyrrolidin-3-yl-1,2,4-triazin-3-amine
PubChem CID83833868
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC NameN-propan-2-yl-N-pyrrolidin-3-yl-1,2,4-triazin-3-amine
SMILESCC(C)N(c1nccnn1)C1CCNC1
InChIInChI=1S/C10H17N5/c1-8(2)15(9-3-4-11-7-9)10-12-5-6-13-14-10/h5-6,8-9,11H,3-4,7H2,1-2H3
InChIKeyPOKIHHFEKPOPTD-UHFFFAOYSA-N
XLogP0.45
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propan-2-yl-N-pyrrolidin-3-yl-1,3-oxazol-2-amine
CID 112709747
N-propan-2-yl-N-pyrrolidin-3-ylpyridin-4-amine
CID 83833064
N-piperidin-4-yl-N-propan-2-ylpyrazin-2-amine
CID 83837945
N-piperidin-4-yl-N-propan-2-yl-1,3-thiazol-2-amine
CID 83839706
(3R)-N-methyl-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine;hydrochloride
CID 71637515
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,2,4-triazin-3-amine
CID 83838459
(3S)-N-methyl-N-propan-2-ylpyrrolidin-3-amine;dihydrochloride
CID 138393817
4-N,6-N-dimethyl-4-N-propan-2-yl-6-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
CID 115265972
(3S)-N-methyl-N-(pyrazin-2-ylmethyl)pyrrolidin-3-amine
CID 71641762
N-[(3-chloropyrazin-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 71641775
(3S)-N-[(3-chloropyrazin-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 71641771
N-methyl-N-[(1S)-1-pyrazin-2-ylethyl]piperidin-4-amine
CID 86329861

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-pyrrolidin-3-yl-1,2,4-triazin-3-amine?
The IUPAC name of N-propan-2-yl-N-pyrrolidin-3-yl-1,2,4-triazin-3-amine (CID 83833868) is N-propan-2-yl-N-pyrrolidin-3-yl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-propan-2-yl-N-pyrrolidin-3-yl-1,2,4-triazin-3-amine?
The canonical SMILES for N-propan-2-yl-N-pyrrolidin-3-yl-1,2,4-triazin-3-amine is CC(C)N(c1nccnn1)C1CCNC1.
What is the InChIKey of N-propan-2-yl-N-pyrrolidin-3-yl-1,2,4-triazin-3-amine?
The InChIKey is POKIHHFEKPOPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c1-8(2)15(9-3-4-11-7-9)10-12-5-6-13-14-10/h5-6,8-9,11H,3-4,7H2,1-2H3.
What are the key properties of N-propan-2-yl-N-pyrrolidin-3-yl-1,2,4-triazin-3-amine?
N-propan-2-yl-N-pyrrolidin-3-yl-1,2,4-triazin-3-amine has a molecular weight of 207.28 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-pyrrolidin-3-yl-1,2,4-triazin-3-amine is sourced from PubChem (CID 83833868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).