2-[bis(cyclopropylmethyl)amino]-N-(2H-tetrazol-5-ylmethyl)acetamide

C12H20N6O — CID 166316578

IUPAC2-[bis(cyclopropylmethyl)amino]-N-(2H-tetrazol-5-ylmethyl)acetamide
SMILESO=C(CN(CC1CC1)CC1CC1)NCc1nn[nH]n1
InChIInChI=1S/C12H20N6O/c19-12(13-5-11-14-16-17-15-11)8-18(6-9-1-2-9)7-10-3-4-10/h9-10H,1-8H2,(H,13,19)(H,14,15,16,17)
InChIKeyYURQJQWUOXOXRO-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.06
Rot. Bonds8

About 2-[bis(cyclopropylmethyl)amino]-N-(2H-tetrazol-5-ylmethyl)acetamide

2-[bis(cyclopropylmethyl)amino]-N-(2H-tetrazol-5-ylmethyl)acetamide (PubChem CID 166316578) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[bis(cyclopropylmethyl)amino]-N-(2H-tetrazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[bis(cyclopropylmethyl)amino]-N-(2H-tetrazol-5-ylmethyl)acetamide
PubChem CID166316578
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name2-[bis(cyclopropylmethyl)amino]-N-(2H-tetrazol-5-ylmethyl)acetamide
SMILESO=C(CN(CC1CC1)CC1CC1)NCc1nn[nH]n1
InChIInChI=1S/C12H20N6O/c19-12(13-5-11-14-16-17-15-11)8-18(6-9-1-2-9)7-10-3-4-10/h9-10H,1-8H2,(H,13,19)(H,14,15,16,17)
InChIKeyYURQJQWUOXOXRO-UHFFFAOYSA-N
XLogP-0.06
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(cyclopropylmethyl)amino]-N-(2H-tetrazol-5-ylmethyl)acetamide?
The IUPAC name of 2-[bis(cyclopropylmethyl)amino]-N-(2H-tetrazol-5-ylmethyl)acetamide (CID 166316578) is 2-[bis(cyclopropylmethyl)amino]-N-(2H-tetrazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-[bis(cyclopropylmethyl)amino]-N-(2H-tetrazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-[bis(cyclopropylmethyl)amino]-N-(2H-tetrazol-5-ylmethyl)acetamide is O=C(CN(CC1CC1)CC1CC1)NCc1nn[nH]n1.
What is the InChIKey of 2-[bis(cyclopropylmethyl)amino]-N-(2H-tetrazol-5-ylmethyl)acetamide?
The InChIKey is YURQJQWUOXOXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c19-12(13-5-11-14-16-17-15-11)8-18(6-9-1-2-9)7-10-3-4-10/h9-10H,1-8H2,(H,13,19)(H,14,15,16,17).
What are the key properties of 2-[bis(cyclopropylmethyl)amino]-N-(2H-tetrazol-5-ylmethyl)acetamide?
2-[bis(cyclopropylmethyl)amino]-N-(2H-tetrazol-5-ylmethyl)acetamide has a molecular weight of 264.33 g/mol, XLogP of -0.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(cyclopropylmethyl)amino]-N-(2H-tetrazol-5-ylmethyl)acetamide is sourced from PubChem (CID 166316578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).