1-propyl-5-pyrrolidin-1-yltriazole

C9H16N4 — CID 130557576

IUPAC1-propyl-5-pyrrolidin-1-yltriazole
SMILESCCCn1nncc1N1CCCC1
InChIInChI=1S/C9H16N4/c1-2-5-13-9(8-10-11-13)12-6-3-4-7-12/h8H,2-7H2,1H3
InChIKeyHPRGWSLQSBRMRP-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.29
Rot. Bonds3

About 1-propyl-5-pyrrolidin-1-yltriazole

1-propyl-5-pyrrolidin-1-yltriazole (PubChem CID 130557576) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-propyl-5-pyrrolidin-1-yltriazole.

Molecular Properties

Compound Name1-propyl-5-pyrrolidin-1-yltriazole
PubChem CID130557576
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name1-propyl-5-pyrrolidin-1-yltriazole
SMILESCCCn1nncc1N1CCCC1
InChIInChI=1S/C9H16N4/c1-2-5-13-9(8-10-11-13)12-6-3-4-7-12/h8H,2-7H2,1H3
InChIKeyHPRGWSLQSBRMRP-UHFFFAOYSA-N
XLogP1.29
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methyl-1-(3-propyltriazol-4-yl)piperidin-4-yl]methanamine
CID 114222624
N-methyl-1-[1-(3-propyltriazol-4-yl)piperidin-3-yl]ethanamine
CID 114222557
[6,6-dimethyl-4-(3-propyltriazol-4-yl)morpholin-2-yl]methanol
CID 114223167
4-piperidin-1-yl-6-(3-propyltriazol-4-yl)-1,3,5-triazin-2-amine
CID 114691144
1-(3-propyltriazol-4-yl)piperazine-2-carboxylic acid
CID 114222990
ethane;5-methyl-1-propyltriazole
CID 164526823
1-(3-propyltriazol-4-yl)cyclopentan-1-ol
CID 114684539
N-propan-2-yl-3-propyltriazol-4-amine
CID 130486605
[5-methyl-4-(3-propyltriazol-4-yl)morpholin-2-yl]methanamine
CID 114223509
(1-piperidin-1-ylcyclopentyl)-(3-propyltriazol-4-yl)methanol
CID 114686588
1-methyl-4-(3-propyltriazol-4-yl)piperidin-4-ol
CID 114684610
2-[4-(3-methyltriazol-4-yl)piperazin-1-yl]pentan-1-amine
CID 114222622

Frequently Asked Questions

What is the IUPAC name of 1-propyl-5-pyrrolidin-1-yltriazole?
The IUPAC name of 1-propyl-5-pyrrolidin-1-yltriazole (CID 130557576) is 1-propyl-5-pyrrolidin-1-yltriazole.
What is the SMILES notation for 1-propyl-5-pyrrolidin-1-yltriazole?
The canonical SMILES for 1-propyl-5-pyrrolidin-1-yltriazole is CCCn1nncc1N1CCCC1.
What is the InChIKey of 1-propyl-5-pyrrolidin-1-yltriazole?
The InChIKey is HPRGWSLQSBRMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-2-5-13-9(8-10-11-13)12-6-3-4-7-12/h8H,2-7H2,1H3.
What are the key properties of 1-propyl-5-pyrrolidin-1-yltriazole?
1-propyl-5-pyrrolidin-1-yltriazole has a molecular weight of 180.25 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-5-pyrrolidin-1-yltriazole is sourced from PubChem (CID 130557576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).